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412412
Source:
http://linkedlifedata.com/resource/chembl/compound/412412
Search
Subject
Predicate
Object
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(
35
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:412412
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:412412
chemicalCompound:standardIn...
InChI=1S/C13H15N3O2/c1-18-7-2-3-10-9(6-7)8-4-5-15-12(13(14)17)11(8)16-10/h2-3,6,12,15-16H,4-5H2,1H3,(H2,14,17)
lld:chembl
chemicalCompound:412412
chemicalCompound:standardIn...
RKPJMNDWLLIELL-UHFFFAOYSA-N
lld:chembl
chemicalCompound:412412
chemicalCompound:canonicalS...
COc1ccc2[nH]c3C(NCCc3c2c1)C(=O)N
lld:chembl
chemicalCompound:412412
chemicalCompound:molecularF...
C13 H15 N3 O2
lld:chembl
chemicalCompound:412412
chemicalCompound:moleculeId
412412
lld:chembl
chemicalCompound:412412
chemicalCompound:mwFreebase
245.277
lld:chembl
chemicalCompound:412412
chemicalCompound:alogp
1
lld:chembl
chemicalCompound:412412
chemicalCompound:hba
3
lld:chembl
chemicalCompound:412412
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:412412
chemicalCompound:psa
80.14
lld:chembl
chemicalCompound:412412
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:412412
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:412412
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:412412
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:412412
chemicalCompound:acdLogP
3.914
lld:chembl
chemicalCompound:412412
chemicalCompound:acdLogD
3.155
lld:chembl
chemicalCompound:412412
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:412412
chemicalCompound:fullMwt
245.277
lld:chembl
chemicalCompound:412412
chemicalCompound:acdMostBpk...
8.5
lld:chembl
chemicalCompound:412412
chemicalCompound:chemblId
CHEMBL245704
lld:chembl
chemicalCompound:412412
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:412412
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:412412
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:412412
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:412412
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:412412
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:412412
chemicalCompound:oral
No
lld:chembl
chemicalCompound:412412
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:412412
chemicalCompound:topical
No
lld:chembl
chemicalCompound:412412
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:412412
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:412412
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:412412
chemicalCompound:activity
activity:2036360
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:412412
lld:chembl